SCHEMBL4039247

SCHEMBL4039247

C=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.56
MAOB P27338 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
SETD7 Q8WTS6 1/20 0.43
PARP1 P09874 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC22A1 O15245 1/20 0.42
CACNA1F O60840 1/20 0.42
NTRK1 P04629 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
RET P07949 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11327557 0.87 CES1 (0.50) CES1MAOBCYP2A6MAOASETD7
SCHEMBL3788168 0.84 CES1 (0.58) CES1MAOBCYP2A6MAOAPARP1
SCHEMBL4668953 0.83 MAOA (0.56) CES1MAOBMAOASLC6A2CYP1A2
Dihydrophenanthrene SCHEMBL30297028 0.82 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL29404495 0.82 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
Dihydrophenanthrene SCHEMBL155991 0.82 CES1 (0.68) CES1MAOBCYP2A6MAOASETD7
SCHEMBL4040922 0.82 SRD5A1 (0.46) CES1MAOBMAOANTRK1DRD2
SCHEMBL4168228 0.82 PARP1 (0.42) CES1PARP1PARP10ALDH1A1MAPT
SCHEMBL4163646 0.82 DRD2 (0.53) CES1PARP1SLC6A2SLC22A1CACNA1F
SCHEMBL66102 0.81 CES1 (0.54) CES1MAOBCYP2A6MAOASETD7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697695-B2 Polymerizable composition and optically anisotropic body using same DIC CORPORATION (JP) 2023-07-11 US disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20230053759-A1 PREPARATION OF A PHARMACEUTICAL INTERMEDIATE DIPHARMA FRANCIS S.R.L. (IT) 2023-02-23 US disclosed
US-11046889-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-06-29 US disclosed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US disclosed
US-10919870-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-02-16 US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 US disclosed
US-10649124-B2 Composition including compound having mesogenic group, polymer and optically anisotropic body obtained by polymerizing polymerizable composition, and phase difference film DIC CORPORATION (JP) 2020-05-12 US disclosed
US-20190025490-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC CORPORATION (JP) 2019-01-24 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
EP-0650956-B1 Triphenylamine derivatives, and charge-transporting materials and electrophotographic photoreceptors containing such derivatives TAKASAGO PERFUMERY CO LTD (JP) 1998-07-15 EP disclosed
US-5573878-A HIGH CHARGING POTENTIALS, HIGH CARRIER MOBILITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-11-12 US disclosed
US-5567560-A Triphenylamine derivative charge-transporting material containing electrophotographic photoreceptor TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-10-22 US disclosed
EP-0650956-A1 Triphenylamine derivatives, and charge-transporting materials and electrophotographic photoreceptors containing such derivatives Takasago International Corporation (JP) 1995-05-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10919870-B2 Polymerizable compound and optically anisotropic body ZYX, ZW10, DPY30 CES1 3158/4885MAOB 1974/4885CYP2A6 3687/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CES1 3013/4885MAOB 2679/4885CYP2A6 4373/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CES1 2733/4885MAOB 2871/4885CYP2A6 2934/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 CES1 2970/4885MAOB 2580/4885CYP2A6 3202/4885
US-20230053759-A1 PREPARATION OF A PHARMACEUTICAL INTERMEDIATE PMP22, PYGB, COQ8A CES1 363/4885MAOB 137/4885CYP2A6 304/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 CES1 1678/4885MAOB 667/4885CYP2A6 1987/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 CES1 2538/4885MAOB 1797/4885CYP2A6 4442/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CES1 435/4885MAOB 2012/4885CYP2A6 273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.